Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28099759 | 0.79 | CNR2 (0.44) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL28734699 | 0.72 | ALDH1A1 (0.43) | L3MBTL1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL1800146 | 0.71 | CYP1A2 (0.52) | KDM4EMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL28639413 | 0.70 | MEN1 (0.44) | L3MBTL1KDM4EMAPTALDH1A1CYP1A2 | |
| SCHEMBL28245095 | 0.70 | CYP1A2 (0.48) | KDM4ERAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL4221729 | 0.70 | MAPK14 (0.69) | L3MBTL1KDM4ERAB9ANPC1USP2 | |
| SCHEMBL1192932 | 0.67 | NR4A1 (0.61) | L3MBTL1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL29884133 | 0.67 | NR4A1 (0.61) | L3MBTL1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL1655743 | 0.67 | ALDH1A1 (0.73) | L3MBTL1KDM4ERAB9ANPC1USP2 | |
| SCHEMBL31539209 | 0.67 | PTGS2 (0.48) | L3MBTL1KDM4ERAB9ANPC1USP2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113666887-A | 1, 4-naphthoquinone derivative, and synthesis method and application thereof | 江苏海洋大学 | 2021-11-19 | — | — | CN | disclosed |